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ONTOLOGY REPORT - ANNOTATIONS


Term:doxorubicin
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Accession:CHEBI:28748 term browser browse the term
Definition:An anthracycline antibiotic that has formula C27H29NO11.
Synonyms:exact_synonym: (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
 related_synonym: (1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside;   (8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione;   14-hydroxydaunomycin;   14-hydroxydaunorubicine;   Adriamycin;   Formula=C27H29NO11;   InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1;   InChIKey=AOJJSUZBOXZQNB-TZSSRYMLSA-N;   SMILES=COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO;   doxorubicine;   doxorubicinum
 alt_id: CHEBI:22270;   CHEBI:2496;   CHEBI:42031
 xref: CAS:23214-92-8 "ChemIDplus";   CAS:23214-92-8 "KEGG COMPOUND";   DrugBank:DB00997;   Drug_Central:960 "DrugCentral";   KEGG:C01661;   KEGG:D03899;   LINCS:LSM-4062;   LIPID_MAPS_instance:LMPK13050001 "LIPID MAPS"
 xref_mesh: MESH:D004317
 xref: PDBeChem:DM2
 cyclic_relationship: is_conjugate_base_of CHEBI:64816


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 23757
    role 23646
      biological role 23609
        antimicrobial agent 20071
          anthracycline antibiotic 7808
            doxorubicin 7801
              1-O-demethyl-6-deoxydoxorubicin 0
              3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
              4'-deoxy-4'-iododoxorubicin 0
              4'-deoxy-4'-iododoxorubicinium 0
              4'-epidoxorubicin 54
              4'-epidoxorubicinium 0
              nemorubicin 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 23757
    subatomic particle 23706
      composite particle 23706
        hadron 23706
          baryon 23706
            nucleon 23706
              atomic nucleus 23706
                atom 23706
                  main group element atom 23525
                    p-block element atom 23525
                      carbon group element atom 23236
                        carbon atom 23213
                          organic molecular entity 23213
                            organic group 21896
                              organic divalent group 21868
                                organodiyl group 21868
                                  carbonyl group 21840
                                    carbonyl compound 21840
                                      ketone 18003
                                        oxyketone 9016
                                          alpha-oxyketone 9016
                                            alpha-hydroxy ketone 9016
                                              primary alpha-hydroxy ketone 7985
                                                doxorubicin 7801
                                                  1-O-demethyl-6-deoxydoxorubicin 0
                                                  3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
                                                  4'-deoxy-4'-iododoxorubicin 0
                                                  4'-deoxy-4'-iododoxorubicinium 0
                                                  4'-epidoxorubicin 54
                                                  4'-epidoxorubicinium 0
                                                  nemorubicin 5
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.